SCHEMBL4564334

SCHEMBL4564334

COc1ccc(C(=O)Nc2ccc(C(C)(C)CNC(=O)c3c[nH]c4c(F)cccc34)cc2)cc1OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.45
GUSB P08236 1/20 0.45
NR1H4 Q96RI1 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
CYP3A4 P08684 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPK14 Q16539 1/20 0.42
POLB P06746 1/20 0.42
PKM P14618 2/20 0.42
PDE4D Q08499 1/20 0.42
MAPT P10636 2/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
NQO2 P16083 1/20 0.41
CASP3 P42574 1/20 0.41
RAB9A P51151 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27797243 0.88 GUSB (0.45) ROCK2GUSBNR1H4MEN1KMT2A
SCHEMBL4563838 0.87 NR1H4 (0.45) ROCK2NR1H4MEN1KMT2ACYP3A4
SCHEMBL2818006 0.86 MEN1 (0.53) ROCK2NR1H4MEN1KMT2APKM
SCHEMBL4556080 0.83 AAK1 (0.48) NR1H4MEN1KMT2AALDH1A1PKM
SCHEMBL4556084 0.80 DHPS (0.56) ROCK2NR1H4MEN1KMT2ACYP3A4
SCHEMBL2815122 0.80 KMT2A (0.57) ROCK2NR1H4MEN1KMT2AALDH1A1
SCHEMBL4555807 0.80 KMT2A (0.50) NR1H4MEN1KMT2AALDH1A1POLB
SCHEMBL2814955 0.80 ALDH1A1 (0.65) ROCK2MEN1KMT2ACYP3A4ALDH1A1
SCHEMBL2816819 0.79 MEN1 (0.63) ROCK2NR1H4MEN1KMT2ACYP3A4
SCHEMBL2814902 0.79 MAPT (0.61) ROCK2NR1H4MEN1KMT2AALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2134676-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE Addex Pharma SA (CH) 2009-12-23 EP disclosed
WO-2008117175-A2 NOVEL BENZAMIDE DERIVATIVES AS MODULATORS OF THE FOLLICLE STIMULATING HORMONE ADDEX PHARMA SA (CH) 2008-10-02 WO disclosed